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4TS3
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BU of 4ts3 by Molmil
Wild type E. Coli purine nucleoside phosphorylase with 2 FMC molecules in active sites
Descriptor: (1S)-1-(7-amino-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydro-D-ribitol, PHOSPHATE ION, Purine nucleoside phosphorylase DeoD-type
Authors:Stefanic, Z, Bzowska, A.
Deposit date:2014-06-18
Release date:2015-07-08
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystallographic snapshots of ligand binding to hexameric purine nucleoside phosphorylase and kinetic studies give insight into the mechanism of catalysis.
Sci Rep, 8, 2018
3TK8
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BU of 3tk8 by Molmil
Structure of a 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase from Burkholderia pseudomallei
Descriptor: 1,2-ETHANEDIOL, 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase, SULFATE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-08-25
Release date:2011-10-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of a 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase from Burkholderia pseudomallei
TO BE PUBLISHED
2GWS
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BU of 2gws by Molmil
Crystal Structure of human DNA Polymerase lambda with a G/G mismatch in the primer terminus
Descriptor: 1,2-ETHANEDIOL, 5'-D(*CP*GP*GP*CP*AP*GP*CP*GP*CP*AP*C)-3', 5'-D(*GP*TP*GP*CP*GP*G)-3', ...
Authors:Garcia-Diaz, M, Picher, A.J, Bebenek, K, Pedersen, L.C, Kunkel, T.A, Blanco, L.
Deposit date:2006-05-05
Release date:2006-09-05
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Promiscuous mismatch extension by human DNA polymerase lambda.
Nucleic Acids Res., 34, 2006
2ZZJ
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BU of 2zzj by Molmil
Crystal structure of endo-beta-1,4-glucuronan lyase from fungus Trichoderma reesei
Descriptor: CALCIUM ION, CITRIC ACID, Glucuronan lyase A
Authors:Konno, N, Ishida, T, Fushinobu, S, Igarashi, K, Habu, N, Samejima, M, Isogai, A.
Deposit date:2009-02-16
Release date:2009-05-05
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of polysaccharide lyase family 20 endo-beta-1,4-glucuronan lyase from the filamentous fungus Trichoderma reesei.
Febs Lett., 583, 2009
4JBO
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BU of 4jbo by Molmil
Novel Aurora kinase inhibitors reveal mechanisms of HURP in nucleation of centrosomal and kinetochore microtubules
Descriptor: 1-(4-{2-[(6-{4-[2-(dimethylamino)ethoxy]phenyl}furo[2,3-d]pyrimidin-4-yl)amino]ethyl}phenyl)-3-phenylurea, Aurora kinase A
Authors:Wu, J.S, Leou, J.S, Peng, Y.H, Hsueh, C.C, Hsieh, H.P, Wu, S.Y.
Deposit date:2013-02-20
Release date:2013-06-05
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.493 Å)
Cite:Aurora kinase inhibitors reveal mechanisms of HURP in nucleation of centrosomal and kinetochore microtubules.
Proc.Natl.Acad.Sci.USA, 110, 2013
4MRF
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BU of 4mrf by Molmil
Crystal structure of the murine cd44 hyaluronan binding domain complex with a small molecule
Descriptor: 1,2,3,4-tetrahydroisoquinoline, CD44 antigen, DIMETHYL SULFOXIDE, ...
Authors:Liu, L.K, Finzel, B.
Deposit date:2013-09-17
Release date:2014-04-16
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Fragment-Based Identification of an Inducible Binding Site on Cell Surface Receptor CD44 for the Design of Protein-Carbohydrate Interaction Inhibitors.
J.Med.Chem., 57, 2014
1HOR
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BU of 1hor by Molmil
STRUCTURE AND CATALYTIC MECHANISM OF GLUCOSAMINE 6-PHOSPHATE DEAMINASE FROM ESCHERICHIA COLI AT 2.1 ANGSTROMS RESOLUTION
Descriptor: 2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATE, GLUCOSAMINE 6-PHOSPHATE DEAMINASE, PHOSPHATE ION
Authors:Oliva, G, Fontes, M.R.M, Garratt, R.C, Altamirano, M.M, Calcagno, M.L, Horjales, E.
Deposit date:1995-09-13
Release date:1996-01-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure and catalytic mechanism of glucosamine 6-phosphate deaminase from Escherichia coli at 2.1 A resolution.
Structure, 3, 1995
2HBP
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BU of 2hbp by Molmil
Solution Structure of Sla1 Homology Domain 1
Descriptor: Cytoskeleton assembly control protein SLA1
Authors:Overduin, M, Mahadev, R.K.
Deposit date:2006-06-14
Release date:2007-04-10
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structure of Sla1p homology domain 1 and interaction with the NPFxD endocytic internalization motif.
Embo J., 26, 2007
3A4N
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BU of 3a4n by Molmil
Crystal structure of archaeal O-phosphoseryl-tRNA(Sec) kinase
Descriptor: 1,2-ETHANEDIOL, IODIDE ION, L-seryl-tRNA(Sec) kinase, ...
Authors:Araiso, Y, Ishitani, R, Soll, D, Nureki, O.
Deposit date:2009-07-10
Release date:2009-10-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of a tRNA-dependent kinase essential for selenocysteine decoding
Proc.Natl.Acad.Sci.USA, 106, 2009
3WY9
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BU of 3wy9 by Molmil
Crystal structure of a complex of the archaeal ribosomal stalk protein aP1 and the GDP-bound archaeal elongation factor aEF1alpha
Descriptor: 50S ribosomal protein L12, Elongation factor 1-alpha, GUANOSINE-5'-DIPHOSPHATE
Authors:Ito, K, Honda, T, Suzuki, T, Miyoshi, T, Murakami, R, Yao, M, Uchiumi, T.
Deposit date:2014-08-22
Release date:2014-12-24
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular insights into the interaction of the ribosomal stalk protein with elongation factor 1 alpha.
Nucleic Acids Res., 42, 2014
3OQ8
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BU of 3oq8 by Molmil
Crystal structure of isocitrate lyase from Brucella melitensis, bound to the product mimic malonate
Descriptor: 1,2-ETHANEDIOL, Isocitrate lyase, MALONIC ACID, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2010-09-02
Release date:2010-09-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal structure of isocitrate lyase from Brucella melitensis, bound to the product mimic malonate
To be Published
2EKJ
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BU of 2ekj by Molmil
Solution structures of the fn3 domain of human collagen alpha-1(XX) chain
Descriptor: Collagen alpha-1(XX) chain
Authors:Sato, M, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-03-23
Release date:2007-09-25
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structures of the fn3 domain of human collagen alpha-1(XX) chain
To be Published
2QIM
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BU of 2qim by Molmil
Crystal Structure of Pathogenesis-related Protein LlPR-10.2B from yellow lupine in complex with Cytokinin
Descriptor: (2E)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol, CALCIUM ION, GLYCEROL, ...
Authors:Fernandes, H.C, Pasternak, O, Bujacz, G, Bujacz, A, Sikorski, M.M, Jaskolski, M.
Deposit date:2007-07-05
Release date:2008-04-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Lupinus luteus pathogenesis-related protein as a reservoir for cytokinin.
J.Mol.Biol., 378, 2008
2HB4
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BU of 2hb4 by Molmil
Structure of HIV Protease NL4-3 in an Unliganded State
Descriptor: MAGNESIUM ION, Protease, R-1,2-PROPANEDIOL
Authors:Heaslet, H, Tam, K, Elder, J.H, Stout, C.D.
Deposit date:2006-06-13
Release date:2007-06-26
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Conformational flexibility in the flap domains of ligand-free HIV protease.
Acta Crystallogr.,Sect.D, 63, 2007
4PO9
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BU of 4po9 by Molmil
Mycobacterium tuberculosis RecA glycerol bound low temperature structure IIC-BR
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Protein RecA, ...
Authors:Chandran, A.V, Prabu, J.R, Patil, N.K, Muniyappa, K, Vijayan, M.
Deposit date:2014-02-25
Release date:2015-03-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural studies on Mycobacterium tuberculosis RecA: Molecular plasticity and interspecies variability
J.Biosci., 40, 2015
4JVR
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BU of 4jvr by Molmil
Co-crystal structure of MDM2 with inhibitor (2'S,3R,4'S,5'R)-N-(2-aminoethyl)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide
Descriptor: (2'S,3R,4'S,5'R)-N-(2-aminoethyl)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide, E3 ubiquitin-protein ligase Mdm2
Authors:Huang, X, Gonzalez-Lopez de Turiso, F, Sun, D, Yosup, R, Bartberger, M.D, Beck, H.P, Cannon, J, Shaffer, P, Oliner, J.D, Olson, S.H, Medina, J.C.
Deposit date:2013-03-26
Release date:2013-05-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Rational Design and Binding Mode Duality of MDM2-p53 Inhibitors.
J.Med.Chem., 56, 2013
2GCN
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BU of 2gcn by Molmil
Crystal structure of the human RhoC-GDP complex
Descriptor: 1,2-ETHANEDIOL, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Dias, S.M.G, Cerione, R.A.
Deposit date:2006-03-14
Release date:2007-03-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:X-ray Crystal Structures Reveal Two Activated States for RhoC.
Biochemistry, 46, 2007
397D
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BU of 397d by Molmil
A 1.3 A RESOLUTION CRYSTAL STRUCTURE OF THE HIV-1 TRANS-ACTIVATION RESPONSE REGION RNA STEM REVEALS A METAL ION-DEPENDENT BULGE CONFORMATION
Descriptor: CALCIUM ION, RNA (5'-R(*GP*CP*UP*CP*UP*CP*UP*GP*GP*CP*CP*C)-3'), RNA (5'-R(*GP*GP*CP*CP*AP*GP*AP*UP*CP*UP*GP*AP*GP*CP*G)-3')
Authors:Ippolito, J.A, Steitz, T.A.
Deposit date:1998-04-30
Release date:1998-09-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:A 1.3-A resolution crystal structure of the HIV-1 trans-activation response region RNA stem reveals a metal ion-dependent bulge conformation.
Proc.Natl.Acad.Sci.USA, 95, 1998
7L35
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BU of 7l35 by Molmil
Human DNA Ligase 1 - R771W nicked DNA complex
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE MONOPHOSPHATE, DI(HYDROXYETHYL)ETHER, ...
Authors:Tumbale, P.P, Williams, R.S, Schellenberg, M.S.
Deposit date:2020-12-17
Release date:2021-01-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:LIG1 syndrome mutations remodel a cooperative network of ligand binding interactions to compromise ligation efficiency.
Nucleic Acids Res., 49, 2021
2EEJ
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BU of 2eej by Molmil
Solution Structure of Fourth PDZ domain of PDZ Domain Containing Protein 1
Descriptor: PDZ domain-containing protein 1
Authors:Niraula, T.N, Tomizawa, T, Koshiba, K, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-02-15
Release date:2008-02-26
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution Structure of Fourth PDZ domain of PDZ Domain Containing Protein 1
To be Published
3A4L
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BU of 3a4l by Molmil
Crystal structure of archaeal O-phosphoseryl-tRNA(Sec) kinase
Descriptor: 1,2-ETHANEDIOL, IODIDE ION, L-seryl-tRNA(Sec) kinase, ...
Authors:Araiso, Y, Ishitani, R, Soll, D, Nureki, O.
Deposit date:2009-07-10
Release date:2009-10-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of a tRNA-dependent kinase essential for selenocysteine decoding
Proc.Natl.Acad.Sci.USA, 106, 2009
3OV6
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BU of 3ov6 by Molmil
CD1c in complex with MPM (mannosyl-beta1-phosphomycoketide)
Descriptor: 1-O-[(S)-hydroxy{[(4S,8S,16S,20S)-4,8,12,16,20-pentamethylheptacosyl]oxy}phosphoryl]-beta-D-mannopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, ...
Authors:Scharf, L, Li, N.S, Hawk, A.J, Garzon, D, Zhang, T, Kazen, A.R, Shah, S, Haddadian, E.J, Saghatelian, A, Faraldo-Gomez, J.D, Meredith, S.C, Piccirilli, J.A, Adams, E.J.
Deposit date:2010-09-15
Release date:2011-01-19
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.502 Å)
Cite:The 2.5 A structure of CD1c in complex with a mycobacterial lipid reveals an open groove ideally suited for diverse antigen presentation
Immunity, 33, 2010
1GIQ
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BU of 1giq by Molmil
Crystal Structure of the Enzymatic Componet of Iota-Toxin from Clostridium Perfringens with NADH
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, IOTA TOXIN COMPONENT IA
Authors:Tsuge, H, Nagahama, M, Nishimura, H, Hisatsune, J, Sakaguchi, Y, Itogawa, Y, Katunuma, N, Sakurai, J.
Deposit date:2001-03-12
Release date:2003-01-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure and Site-directed Mutagenesis of Enzymatic Components from Clostridium perfringens Iota-toxin
J.MOL.BIOL., 325, 2003
7KVM
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BU of 7kvm by Molmil
Human CYP3A4 bound to an inhibitor
Descriptor: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-{[(2R)-2-benzyl-3-oxo-3-{[3-(pyridin-3-yl)propyl]amino}propyl]sulfanyl}-3-phenylpropan-2-yl]carbamate
Authors:Sevrioukova, I.
Deposit date:2020-11-28
Release date:2021-01-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Rational Design of CYP3A4 Inhibitors: A One-Atom Linker Elongation in Ritonavir-Like Compounds Leads to a Marked Improvement in the Binding Strength.
Int J Mol Sci, 22, 2021
4FLF
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BU of 4flf by Molmil
Structure of three phase partition treated lipase from Thermomyces lanuginosa at 2.15A resolution.
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-nitrobenzaldehyde, ...
Authors:Kumar, M, Mukherjee, J, Sinha, M, Kaur, P, Gupta, M.N, Sharma, S, Singh, T.P.
Deposit date:2012-06-14
Release date:2012-07-11
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Enhancement of stability of a lipase by subjecting to three phase partitioning (TPP): structures of native and TPP-treated lipase from Thermomyces lanuginosa
Sustain Chem Process, 2015

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